N-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C19H16BrClN4OS — CID 55825441

IUPACN-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1nncn1-c1cccc(Cl)c1)NC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H16BrClN4OS/c20-14-6-4-13(5-7-14)19(8-9-19)23-17(26)11-27-18-24-22-12-25(18)16-3-1-2-15(21)10-16/h1-7,10,12H,8-9,11H2,(H,23,26)
InChIKeyZQEQYRBFGPVHBV-UHFFFAOYSA-N
MW463.79 g/mol
LogP4.58
Rot. Bonds6

About N-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 55825441) has the molecular formula C19H16BrClN4OS and a molecular weight of 463.79 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID55825441
Molecular FormulaC19H16BrClN4OS
Molecular Weight463.79 g/mol
Exact Mass461.99
IUPAC NameN-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1nncn1-c1cccc(Cl)c1)NC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H16BrClN4OS/c20-14-6-4-13(5-7-14)19(8-9-19)23-17(26)11-27-18-24-22-12-25(18)16-3-1-2-15(21)10-16/h1-7,10,12H,8-9,11H2,(H,23,26)
InChIKeyZQEQYRBFGPVHBV-UHFFFAOYSA-N
XLogP4.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.79
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[[2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methylcyclohexane-1-carboxylate
CID 55843613
4-(3-chlorophenyl)-3-(2-chloroprop-2-enylsulfanyl)-1,2,4-triazole
CID 47096049
N-(2-chlorophenyl)-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40568574
N-(2-chloro-4-methylphenyl)-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40568602
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24557365
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 40568479
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,3-dimethylbutyl)acetamide
CID 34712063
N-(3-acetylphenyl)-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40568552
N'-[2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1H-pyrrole-2-carbohydrazide
CID 78846210
4-[[2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 40568659
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 51140640
N-(1,3-benzodioxol-5-yl)-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40568593

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 55825441) is N-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is O=C(CSc1nncn1-c1cccc(Cl)c1)NC1(c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is ZQEQYRBFGPVHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN4OS/c20-14-6-4-13(5-7-14)19(8-9-19)23-17(26)11-27-18-24-22-12-25(18)16-3-1-2-15(21)10-16/h1-7,10,12H,8-9,11H2,(H,23,26).
What are the key properties of N-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 463.79 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)cyclopropyl]-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 55825441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).